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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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A project to develop, implement, and validate cloud-based intelligent transportation systems that enables ≥25% improvement in freight energy efficiency per vehicle mile travelled.
First of a kind development result on two low-energy solid-phase processes applied on an irradiation-resistant alloy, NiCoFeCrCu 0.12 , are achieved and demonstrate moderate feasibility of successful tube fabrication using shear assisted processing and extrusion (ShAPE™) and friction stir layer deposition as a bulk manufacturing process. The scope of the work is performed in four phases: 1) direct tube manufacturing of the irradiation-resistant high-entropy alloy (HEA) composite with increased strength, 2) co-shear lining manufacturing process for the increased strength and corrosion-resistant, irradiation-tolerant HEAs, 3) ShAPE of the radially gradient corrosion resistance alloy, and 4) alloy development and fabrication enabled through friction stir additive manufacturing processes among others. This report describes the development activities from April to December 2023 to manufacture a direct customizable thin-walled tubular product from irradiation-tolerant composite high-entropy alloys (C-HEAs) while the overall project is continuing in 2024.
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Current photovoltaic and solar-to-fuel technologies do not fully utilize the energy of sunlight because excess photon energy above the semiconductor band gap is rapidly lost as heat through hot-carrier thermalization. Overcoming this loss mechanism is critical, as hot-carrier-based energy conversion systems are predicted to exceed the conventional efficiency limit of ~33%. This project advanced fundamental understanding of hot-carrier energy conversion in two-dimensional (2D) semiconductors, with a focus on monolayer MoS 2 . Using a combination of electrochemical microscopy and in situ ultrafast spectroscopic measurements, this research directly demonstrated hot-carrier extraction from monolayer MoS 2 photoelectrodes in proof-of-concept liquid junction solar cells. These measurements established that hot-carrier transfer can compete with ultrafast carrier cooling at solid–liquid interfaces, providing unambiguous experimental evidence that hot-carrier extraction is feasible in atomically thin semiconductors under operating photoelectrochemical conditions. Beyond demonstration, the project identified design rules for tuning hot-carrier extraction rates relative to cooling rates in 2D semiconductor photoelectrodes. The outcomes of this research provide foundational thermodynamic and kinetic insights for the rational design of next-generation hot-carrier-enabled solar energy conversion systems. These findings have broad implications for photoelectrochemical solar fuels production, electrocatalysis, and emerging energy conversion architectures that seek to harness nonequilibrium charge carriers for enhanced efficiency.
This presentation discusses the motivation, experimental procedure, and results of fabricating Minnealloy from different precursor powders. X-ray diffraction and vibrating sample magnetometry was performed to assess the quality of each sample.
Nb3Sn superconducting material promises significant potential to exceed the performance of niobium based superconducting radio frequency (SRF) accelerator cavities. With the aim of advancing the ongoing R&D efforts in improving the material quality of Nb3Sn SRF cavities, we studied how the inclusion of Zr in Nb3Sn matrix via co-sputtering process effects the microscopic structure and superconducting properties. Our results suggest co-sputtered Nb3SnZr alloy as a new prospective material platform to further advance the performance limits of SRF cavities.
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Low density, high-strength, temperature-resistant foams see widespread application in the aerospace and weapons fields due to their excellent qualities as structural supports. In these demanding environments, the most common formulation is a three-phase syntactic foam containing APOCure-601, BMI, and carbon or glass microballoons. Of these, APOCure-601 and BMI form the polymer resin amino-poly(oxadiazole) bismaleimide (APO-BMI), also known as Legacy APO or S-1,2-Ethyl-APO. In manufacturing this foam, the selective laser sintering (SLS) additive manufacturing technique is quickly gaining prominence, over more traditional injection molding since SLS allows for 3D printing of materials and reduces overall cost and waste production. That said, SLS also requires a narrow window between the melt and cure temperatures for a successful print. SLS printing of APO-BMI is therefore difficult since the compound possesses a broad window between its melting and curing temperatures, and also requires several post-cure steps or complete polymerization. This work explores synthesis optimization and thermal characteristics for variant Apo-BMI structures by observing the effect that alternative heteroatoms in the APO linkages, geometries 0f the BMI groups, and bridge structure identities impart on the resultant material. Synthetic methods for these altered structures were established in batch, with some others further converted to continuous flow chemistry, a method that produces materials in a continuous stream and is highly reproducible and readily scaled. Additionally, each structural change significantly altered the melt and cure properties for each APO variant, which is advantageous for SLS manufacturing.
Challenging combinatorial optimization problems are ubiquitous in science and engineering. Several quantum methods for optimization have recently been developed, in different settings including both exact and approximate solvers. Addressing this field of research, this manuscript has three distinct purposes. First, we present an intuitive method for synthesizing and analyzing discrete (i.e., integer-based) optimization problems, wherein the problem and corresponding algorithmic primitives are expressed using a discrete quantum intermediate representation (DQIR) that is encoding-independent. This compact representation often allows for more efficient problem compilation, automated analyses of different encoding choices, easier interpretability, more complex runtime procedures, and richer programmability, as compared to previous approaches, which we demonstrate with a number of examples. Second, we perform numerical studies comparing several qubit encodings; the results exhibit a number of preliminary trends that help guide the choice of encoding for a particular set of hardware and a particular problem and algorithm. Our study includes problems related to graph coloring, the traveling salesperson problem, factory/machine scheduling, financial portfolio rebalancing, and integer linear programming. Third, we design low-depth graph-derived partial mixers (GDPMs) up to 16-level quantum variables, demonstrating that compact (binary) encodings are more amenable to QAOA than previously understood. We expect this toolkit of programming abstractions and low-level building blocks to aid in designing quantum algorithms for discrete combinatorial problems.
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The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.
Sugars are precursors to the majority of the world’s biofuels. Most of these come from sugar and starch crops, such as sugarcane and corn grain. Lignocellulosic sugars, although more challenging to extract from biomass, represent a large, untapped, opportunity. In response to the increasing attention to renewable energy, fuels, and chemicals, we review and compare two strategies for extracting sugars from lignocellulosic biomass: biochemical and thermochemical processing. Biochemical processing based on enzymatic hydrolysis has high sugar yield but is relatively slow. Thermochemical processing, which includes fast pyrolysis and solvent liquefaction, offers increased throughput and operability at the expense of low sugar yields.
Universally present aminoacyl-tRNA synthetases (aaRSs) stringently recognize their cognate tRNAs and acylate them with one of the proteinogenic amino acids. However, some organisms possess aaRSs that deviate from the accurate translation of the genetic code and exhibit relaxed specificity toward their tRNA and/or amino acid substrates. Typically, these aaRSs are part of an indirect pathway in which multiple enzymes participate in the formation of the correct aminoacyl-tRNA product. The indirect cysteine (Cys)-tRNA pathway, originally thought to be restricted to methanogenic archaea, uses the unique O -phosphoseryl-tRNA synthetase (SepRS), which acylates the non-proteinogenic amino acid O -phosphoserine (Sep) onto tRNA Cys . Together with Sep-tRNA:Cys-tRNA synthase (SepCysS) and the adapter protein SepCysE, SepRS forms a transsulfursome complex responsible for shuttling Sep-tRNA Cys to SepCysS for conversion of the tRNA-bound Sep to Cys. Here, we report a comprehensive bioinformatic analysis of the diversity of indirect Cys encoding systems. These systems are present in more diverse groups of bacteria and archaea than previously known. Given the occurrence and distribution of some genes consistently flanking SepRS, it is likely that this gene was part of an ancient operon that suffered a gradual loss of its original components. Newly identified bacterial SepRS sequences strengthen the suggestion that this lineage of enzymes may not rely on the m 1 G37 identity determinant in tRNA. Some bacterial SepRSs possess an N-terminal fusion resembling a threonyl-tRNA synthetase editing domain, which interestingly is frequently observed in the vicinity of archaeal SepCysS genes. We also found several highly degenerate SepRS genes that likely have altered amino acid specificity. Cross-analysis of selenocysteine (Sec)-utilizing traits confirmed the co-occurrence of SepCysE and the Sec-utilizing machinery in archaea, but also identified an unusual O -phosphoseryl-tRNA Sec kinase fusion with an archaeal Sec elongation factor in some lineages, where it may serve in place of SepCysE to prevent crosstalk between the two minor aminoacylation systems. These results shed new light on the variations in SepRS and SepCysS enzymes that may reflect adaptation to lifestyle and habitat, and provide new information on the evolution of the genetic code.
Because of its great potential for diversity, the immunoglobulin heavy-chain complementarity-determining region 3 (HCDR3) is taken as an antibody molecule’s most important component in conferring binding activity and specificity. For this reason, HCDR3s have been used as unique identifiers to investigate adaptive immune responses in vivo and to characterize in vitro selection outputs where display systems were employed. Here, we show that many different HCDR3s can be identified within a target-specific antibody population after in vitro selection. For each identified HCDR3, a number of different antibodies bearing differences elsewhere can be found. In such selected populations, all antibodies with the same HCDR3 recognize the target, albeit at different affinities. In contrast, within unselected populations, the majority of antibodies with the same HCDR3 sequence do not bind the target. In one HCDR3 examined in depth, all target-specific antibodies were derived from the same VDJ rearrangement, while non-binding antibodies with the same HCDR3 were derived from many different V and D gene rearrangements. Careful examination of previously published in vivo datasets reveals that HCDR3s shared between, and within, different individuals can also originate from rearrangements of different V and D genes, with up to 26 different rearrangements yielding the same identical HCDR3 sequence. On the basis of these observations, we conclude that the same HCDR3 can be generated by many different rearrangements, but that specific target binding is an outcome of unique rearrangements and VL pairing: the HCDR3 is necessary, albeit insufficient, for specific antibody binding.
Luminescent inorganic materials are used in several technological applications such as light-emitting displays, white LEDs for illumination, bioimaging, and photodynamic therapy. Usually, inorganic phosphors (e.g., complex oxides, silicates) need high temperatures and, in some cases, specific atmospheres to be formed or to obtain a homogeneous composition. Low ionic diffusion and high melting points of the precursors lead to long processing times in these solid-state syntheses with a cost in energy consumption when conventional heating methods are applied. Microwave-assisted synthesis relies on selective, volumetric heating attributed to the electromagnetic radiation interaction with the matter. The microwave heating allows for rapid heating rates and small temperature gradients yielding homogeneous, well-formed materials swiftly. Luminescent inorganic materials can benefit significantly from the microwave-assisted synthesis for high homogeneity, diverse morphology, and rapid screening of different compositions. The rapid screening allows for fast material investigation, whereas the benefits of enhanced homogeneity include improvement in the optical properties such as quantum yields and storage capacity.
This paper studied the feasibility of a new solution-processed method to manufacture black tungsten nanostructures by laser conversion of tungsten hexacarbonyl precursor on the Inconel 625 substrate under argon atmosphere at ambient pressure. The results show that sublimation of the precursor can be prevented if the decomposition temperature (>170 °C) is achieved using the laser heating method. Three different laser powers from 60–400 W were used to investigate the role of laser parameters on the conversion. It was found that lower laser power of 60 W resulted in a mixture of unconverted precursor and converted tungsten. Higher laser powers >200 W resulted in α-W (BCC) in one step without further heat treatment. Different oxygen concentrations from 0.5 ppm to 21 vol% were used in the laser canister to investigate the effect of oxygen concentration on the conversion. It was found that the hard vacuum (>10−4 torr) or hydrogen is not necessary to obtain α-W (BCC). The solar absorptance varied from 63–97%, depending on the amount of precursor deposited on the substrate and oxygen content in the laser canister. This solution-based laser conversion of tungsten precursor is a scalable method to manufacture tungsten coatings for high-temperature applications.
The transition towards sustainable and renewable energy sources is imperative in mitigating the environmental impacts of escalating global energy consumption. Methanol, with its versatile applications and potential as a clean energy carrier, a precursor chemical, and a valuable commodity, emerges as a promising solution within the realm of renewable energy technologies. This work explores the integration of electrochemistry with solar power to drive efficient methanol production processes, focusing on electrochemical reduction (ECR) of CO 2 and methane oxidation reaction (MOR) as pathways for methanol synthesis. Through detailed analysis and calculations, we evaluate the thermodynamic limits and realistic solar-to-fuel (STF) efficiencies of ECR and MOR. Our investigation encompasses the characterization of multijunction light absorbers, determination of thermoneutral potentials, and assessment of STF efficiencies under varying conditions. We identify the challenges and opportunities inherent in both ECR and MOR pathways, shedding light on catalyst stability, reaction kinetics, and system optimization, thereby providing insights into the prospects and challenges of solar-driven methanol synthesis, offering a pathway towards a cleaner and more sustainable energy future.
Data-driven algorithms have been widely used as effective tools to mimic hydrologic systems. Unlike black-box models, decision tree algorithms offer transparent representations of systems and reveal useful information about the underlying process. A popular class of decision tree models is model tree (MT), which is designed for predicting continuous variables. Most MT algorithms employ an exhaustive search mechanism and a pre-defined splitting criterion to generate a piecewise linear model. However, this approach is computationally intensive, and the selection of the splitting criterion can significantly affect the performance of the generated model. These drawbacks can limit the application of MTs to large datasets. To overcome these shortcomings, a new flexible Model Tree Generator (MTG) framework is introduced here. MTG is equipped with several modules to provide a flexible, efficient, and effective tool for generating MTs. The application of the algorithm is demonstrated through simulation of controlled discharge from several reservoirs across the Contiguous United States (CONUS).